CID 44150273

93803-59-9

Structural Information

Molecular Formula
C28H42O2
SMILES
CC(C)C1=CC(=C(C(=C1)C(C2=CC(=CC(=C2O)C(C)C)C(C)C)C(C)C)O)C(C)C
InChI
InChI=1S/C28H42O2/c1-15(2)20-11-22(17(5)6)27(29)24(13-20)26(19(9)10)25-14-21(16(3)4)12-23(18(7)8)28(25)30/h11-19,26,29-30H,1-10H3
InChIKey
KPJUNYFTCMRIRE-UHFFFAOYSA-N
Compound name
2-[1-[2-hydroxy-3,5-di(propan-2-yl)phenyl]-2-methylpropyl]-4,6-di(propan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.31848 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.325756 203.5
[M+Na]+ 433.307698 206.9
[M-H]- 409.311204 207.1
[M+NH4]+ 428.352303 213.5
[M+K]+ 449.281638 203.4
[M+H-H2O]+ 393.315740 196.5
[M+HCOO]- 455.316681 214.5
[M+CH3COO]- 469.332331 235.5
[M+Na-2H]- 431.293146 192.3
[M]+ 410.31793142 205.6
[M]- 410.31902858 205.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.